CID 199306

3998-94-5

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

CC(C)(C(C1=CC=CC=C1)N)N(C)C

InChI

InChI=1S/C12H20N2/c1-12(2,14(3)4)11(13)10-8-6-5-7-9-10/h5-9,11H,13H2,1-4H3

InChIKey

POIHZKRAEGEBRP-UHFFFAOYSA-N

Compound name

2-N,2-N,2-trimethyl-1-phenylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 192.16264 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.169916	146.2
[M+Na]+	215.151858	151.0
[M-H]-	191.155364	150.5
[M+NH4]+	210.196463	165.6
[M+K]+	231.125798	150.3
[M+H-H2O]+	175.159900	139.9
[M+HCOO]-	237.160841	169.2
[M+CH3COO]-	251.176491	194.2
[M+Na-2H]-	213.137306	151.0
[M]+	192.16209142	144.9
[M]-	192.16318858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe